5'-d[gccgaggtccatgtcgtacgc]-3' phosphorothioate oligonucleotide

Structural Information

Molecular Formula

C₂₀₃H₂₅₇N₇₉O₁₀₅P₂₀S₂₀

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C203H257N79O105P20S20/c1-78-40-269(200(303)258-175(78)285)138-27-90(113(357-138)54-336-404(323,424)385-100-37-149(280-75-234-159-172(280)248-190(218)255-183(159)293)367-123(100)64-346-407(326,427)387-102-39-151(282-77-236-161-174(282)250-192(220)257-185(161)295)366-122(102)63-345-405(324,425)382-96-33-144(275-70-229-154-164(213)223-67-226-167(154)275)361-117(96)58-340-406(325,426)386-101-38-150(281-76-235-160-173(281)249-191(219)256-184(160)294)364-120(101)61-343-394(313,414)372-87-24-135(266-16-9-128(208)241-197(266)300)351-107(87)48-329-390(309,410)369-84-21-132(263-13-6-125(205)238-194(263)297)349-105(84)46-328-389(308,409)368-83-20-145(347-103(83)44-283)276-71-230-155-168(276)244-186(214)251-179(155)289)375-396(315,416)331-49-108-85(22-133(352-108)264-14-7-126(206)239-195(264)298)370-391(310,411)330-47-106-86(23-134(350-106)265-15-8-127(207)240-196(265)299)371-392(311,412)338-56-115-95(32-143(359-115)274-69-228-153-163(212)222-66-225-166(153)274)381-401(320,421)334-52-111-93(30-141(355-111)272-43-81(4)178(288)261-203(272)306)378-399(318,419)344-62-121-99(36-148(365-121)279-74-233-158-171(279)247-189(217)254-182(158)292)384-403(322,423)335-53-112-91(28-139(356-112)270-41-79(2)176(286)259-201(270)304)376-397(316,417)332-50-109-88(25-136(353-109)267-17-10-129(209)242-198(267)301)373-395(314,415)342-60-119-98(35-147(363-119)278-73-232-157-170(278)246-188(216)253-181(157)291)383-402(321,422)337-55-114-92(29-140(358-114)271-42-80(3)177(287)260-202(271)305)377-398(317,418)339-57-116-94(31-142(360-116)273-68-227-152-162(211)221-65-224-165(152)273)380-400(319,420)333-51-110-89(26-137(354-110)268-18-11-130(210)243-199(268)302)374-393(312,413)341-59-118-97(34-146(362-118)277-72-231-156-169(277)245-187(215)252-180(156)290)379-388(307,408)327-45-104-82(284)19-131(348-104)262-12-5-124(204)237-193(262)296/h5-18,40-43,65-77,82-123,131-151,283-284H,19-39,44-64H2,1-4H3,(H,307,408)(H,308,409)(H,309,410)(H,310,411)(H,311,412)(H,312,413)(H,313,414)(H,314,415)(H,315,416)(H,316,417)(H,317,418)(H,318,419)(H,319,420)(H,320,421)(H,321,422)(H,322,423)(H,323,424)(H,324,425)(H,325,426)(H,326,427)(H2,204,237,296)(H2,205,238,297)(H2,206,239,298)(H2,207,240,299)(H2,208,241,300)(H2,209,242,301)(H2,210,243,302)(H2,211,221,224)(H2,212,222,225)(H2,213,223,226)(H,258,285,303)(H,259,286,304)(H,260,287,305)(H,261,288,306)(H3,214,244,251,289)(H3,215,245,252,290)(H3,216,246,253,291)(H3,217,247,254,292)(H3,218,248,255,293)(H3,219,249,256,294)(H3,220,250,257,295)

InChIKey

CWUDNXPMFGZWHT-UHFFFAOYSA-N

Compound name

1-[5-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16131588